SCHEMBL5799092

SCHEMBL5799092

CC[C@@H](C)C[C@@H](C)C[C@H](C)O

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.33
PTPN1 P18031 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL810642 1.00 TSHR (0.50) TSHRTDP1ALDH1A1PTPN1
SCHEMBL1658331 1.00 TSHR (0.50) TSHRTDP1ALDH1A1PTPN1
SCHEMBL14394650 0.94
SCHEMBL14303702 0.94
SCHEMBL20539711 0.94
SCHEMBL92017 0.94
SCHEMBL5907063 0.84 TSHR (0.47) TSHRTDP1ALDH1A1
SCHEMBL15629139 0.84 TSHR (0.38) TSHRTDP1ALDH1A1
Ammonia Solution, Strong SCHEMBL8993372 0.81 TSHR (0.44) TSHRTDP1ALDH1A1
SCHEMBL24736823 0.80

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006024502-A2 METHOD FOR PRODUCING POLYMETHYL-BRANCHED OMEGA-1, OMEGA-2 OR OMEGA-3 ALCOHOLS OR KETONES, USING THE BACILLUS MEGATERIUM HYDROXYLASE SYSTEM GESELLSCHAFT FUER BIOTECHNOLOGISCHE FORSCHUNG MBH (GBF) (DE) 2006-03-09 WO claimed